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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 6' and Ligand = 'BDBM50517569'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Histone deacetylase 6


(Homo sapiens (Human))		BDBM50517569
PNG
(CHEMBL4450965)
Show SMILES ONC(=O)c1ccc(CN2c3ccccc3Sc3cccc(Cl)c23)cc1
Show InChI InChI=1S/C20H15ClN2O2S/c21-15-4-3-7-18-19(15)23(16-5-1-2-6-17(16)26-18)12-13-8-10-14(11-9-13)20(24)22-25/h1-11,25H,12H2,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Ludwig-Maximilians University Munich

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human HDAC6 expressed in baculovirus expression system using fluorogenic ZMAL as substrate incubated ...

J Med Chem 62: 1138-1166 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01090
BindingDB Entry DOI: 10.7270/Q2J67MB7
More data for this
Ligand-Target Pair